Theory of elasticity and electric polarization effects in the group-III nitrides

In this work, the properties of strained tetrahedrally bonded materials are explored theoretically, with special focus on group-III nitrides. In order to do so, a multiscale approach is taken: accurate quantitative calculations of material properties are carried out in a quantum first-principles frame, for small systems. These properties are then extrapolated and empirical methods are employed to make predictions for larger systems, such as alloys or nanostructures. We focus our attention on elasticity and electric polarization in semiconductors. These quantities serve as input for the calculation of the optoelectronic properties of these systems. Regarding the methods employed, our first-principles calculations use highly- accurate density functional theory (DFT) within both standard Kohn-Sham and generalized (hybrid functional) Kohn-Sham approaches. We have developed our own empirical methods, including valence force field (VFF) and a point-dipole model for the calculation of local polarization and local polarization potential. Our local polarization model gives insight for the first time to local fluctuations of the electric polarization at an atomistic level. At the continuum level, we have studied composition-engineering optimization of nitride nanostructures for built-in electrostatic field reduction, and have developed a highly efficient hybrid analytical-numerical staggered-grid computational implementation of continuum elasticity theory, that is used to treat larger systems, such as quantum dots.

Global and local perceptual style, field-independence, and central coherence: an attempt at concept validation

Historically, the concepts of field-independence, closure flexibility, and weak central coherence have been used to denote a locally, rather globally, dominated perceptual style. To date, there has been little attempt to clarify the relationship between these constructs, or to examine the convergent validity of the various tasks purported to measure them. To address this, we administered 14 tasks that have been used to study visual perceptual styles to a group of 90 neuro-typical adults. The data were subjected to exploratory factor analysis. We found evidence for the existence of a narrowly defined weak central coherence (field-independence) factor that received loadings from only a few of the tasks used to operationalise this concept. This factor can most aptly be described as representing the ability to dis-embed a simple stimulus from a more complex array. The results suggest that future studies of perceptual styles should include tasks whose theoretical validity is empirically verified, as such validity cannot be established merely on the basis of a priori task analysis. Moreover, the use of multiple indices is required to capture the latent dimensions of perceptual styles reliably.

Comparative survey of the relative impact of mRNA features on local ribosome profiling read density

Ribosome profiling (Ribo-seq), a promising technology for exploring ribosome decoding rates, is characterized by the presence of infrequent high peaks in ribosome footprint density and by long alignment gaps. Here, to reduce the impact of data heterogeneity we introduce a simple normalization method, Ribo-seq Unit Step Transformation (RUST). RUST is robust and outperforms other normalization techniques in the presence of heterogeneous noise. We illustrate how RUST can be used for identifying mRNA sequence features that affect ribosome footprint densities globally. We show that a few parameters extracted with RUST are sufficient for predicting experimental densities with high accuracy. Importantly the application of RUST to 30 publicly available Ribo-seq data sets revealed a substantial variation in sequence determinants of ribosome footprint frequencies, questioning the reliability of Ribo-seq as an accurate representation of local ribosome densities without prior quality control. This emphasizes our incomplete understanding of how protocol parameters affect ribosome footprint densities.